Ligand

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Ligand Name:   5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
HET ID:   H05 PubChem:   893376
DrugBank:   - ChEMBL:   CHEMBL1603585
Canonical SMILES:   CCCc1nc2ccccc2c2n1nc(n2)N
Standard InChI:   InChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16)
Molecular Formula:   C12H13N5 Mol. Weight:   227.26512 Heavy Atoms:   17
Charge:   0 Is Chiral:   False logP:   2.3934
HBD:   1 HBA:   5 TPSA:   69.1
#Bonds:   19 #Rotatable Bonds:   2 Shape Complexity:   0.25
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Heat shock protein HSP 90-alpha P07900 (HS90A_HUMAN) Homo sapiens 4CWF Ki : 32200.0 nM BindingDB SHOW
Heat shock protein HSP 90-alpha P07900 (HS90A_HUMAN) Homo sapiens 4CWF Ki : 32400.002 nM Binding MOAD SHOW